Information card for entry 4135208

Structure parameters

• Formula: C30 H33 Cu I N2 O2 P
• Calculated formula: C30 H33 Cu I N2 O2 P
• Title of publication: Regio- and Enantioselective Allylic Alkylation of Terminal Alkynes by Synergistic Rh/Cu Catalysis.
• Authors of publication: Huang, Wen-Yu; Lu, Chun-Hua; Ghorai, Samir; Li, Bing; Li, Changkun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.5663 ± 0.0007 Å
• b: 12.6322 ± 0.0008 Å
• c: 22.8317 ± 0.0014 Å
• α: 90°
• β: 92.385 ± 0.003°
• γ: 90°
• Cell volume: 3044.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.251
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No